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Text-conditioned molecular generation aims to translate natural-language descriptions into chemical structures, enabling scientists to specify functional groups, scaffolds, and physicochemical constraints without handcrafted rules.…

Continuous Conditional Generative Modeling (CCGM) estimates high-dimensional data distributions, such as images, conditioned on scalar continuous variables (aka regression labels). While Continuous Conditional Generative Adversarial…

Most existing cross-modal generative methods based on diffusion models use guidance to provide control over the latent space to enable conditional generation across different modalities. Such methods focus on providing guidance through…

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations…

Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among these, GPT-based molecular language models (MLM) have shown…

Diffusion Language models (DLMs) are a promising avenue for text generation due to their practical properties on tractable controllable generation. They also have the advantage of not having to predict text autoregressively. However,…

Large Language Models (LLMs) employ three popular training approaches: Masked Language Models (MLM), Causal Language Models (CLM), and Sequence-to-Sequence Models (seq2seq). However, each approach has its strengths and limitations, and…

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates…

Proteins adopt multiple structural conformations to perform their diverse biological functions, and understanding these conformations is crucial for advancing drug discovery. Traditional physics-based simulation methods often struggle with…

Proteins are fundamental to biology, executing diverse functions through complex physicochemical interactions, and they hold transformative potential across medicine, materials science, and environmental applications. Protein Language…

Continuous Conditional Diffusion Model (CCDM) is a diffusion-based framework designed to generate high-quality images conditioned on continuous regression labels. Although CCDM has demonstrated clear advantages over prior approaches across…

Diffusion large language models (dLLMs) have emerged as a compelling alternative to autoregressive (AR) LLMs, owing to their capacity for parallel token generation. This paradigm is particularly well-suited for code generation, where…

While diffusion Multimodal Large Language Models (dMLLMs) have recently achieved remarkable strides in multimodal generation, the development of interpretability mechanisms has lagged behind their architectural evolution. Unlike traditional…

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Generative AI presents chemists with novel ideas for drug design and facilitates the exploration of vast chemical spaces. Diffusion models (DMs), an emerging tool, have recently attracted great attention in drug R\&D. This paper…

Currently, large language models (LLMs) predominantly focus on the text modality. To enable more natural human-AI interaction, speech LLMs are emerging, but building effective end-to-end speech LLMs remains challenging due to limited data…

Condition and structural health monitoring (CM/SHM) is a pivotal component of predictive maintenance (PdM) strategies across diverse industrial sectors, including mechanical rotating machinery, aircraft structures, wind turbines, and civil…

The conditional diffusion model (CDM) enhances the standard diffusion model by providing more control, improving the quality and relevance of the outputs, and making the model adaptable to a wider range of complex tasks. However, inaccurate…

By formulating data samples' formation as a Markov denoising process, diffusion models achieve state-of-the-art performances in a collection of tasks. Recently, many variants of diffusion models have been proposed to enable controlled…

Multi-modal medical image completion has been extensively applied to alleviate the missing modality issue in a wealth of multi-modal diagnostic tasks. However, for most existing synthesis methods, their inferences of missing modalities can…